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  • the output of build.mrcc
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Segmentation fault in xmrcc, works in 2019 release, broken in 2022

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7 months 3 weeks ago #1211 by TiborGY
Running the following input file with the recently released 2022 binary package results in a segmentation fault in xmrcc. The same input does not crash with the 2019 binary. Please find attached the output from the run with the 2022 release.
basis=aug-cc-pVDZ
calc=CCSDT(Q)
scftype=ROHF
mult=2
charge=0
mem=32GB
cctol=8
scftol=10

geom xyz
 9
     -1.0
 H  -0.10149097 -1.03633805  0.36643410
 H  -0.42881000 0.04070368  -1.01638384
 H  -0.61347990 0.64796015  0.64989306
 H  2.08460786 -0.20078248  -0.64982023
 H  1.89993795 0.40647401  1.01645665
 H  1.57261892 1.48351572  -0.36636130
 C  0.00000000 0.00000000  0.00000000
 C  1.47112796 0.44717768  0.00007281
 F  -1.26562869 1.33676255  1.34075021
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7 months 3 weeks ago #1212 by kallay
Thank you for reporting this. It has been fixed. You will find the patches in the download area.

Best regards,
Mihaly Kallay

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